Molecule

ID:64321

General Information
Structure
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Molecular Formula
C₈H₅F
Molecular Mass
120.1237032
Exact Mass
120.03752838
Charge
0
InChI
InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChIKey
QXSWHQGIEKUBAS-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc(cc1)F
Isomeric Smiles
C(#C)c1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.266783
LogD (pH = 7.4)
2.266783
Log P
2.266783
Molar Refractivity
31.4467
Polarizability
12.551309
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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